Molecular Property Classification on MoleculeNet Linear Probe
73.8BBBP AccuracyC-FREEMM-SUB
Evaluation Results
| Method | Links | |||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| C-FREEMM-SUBEvaluation Protocol=Linear Probe, Backbone=Frozen, Category=Non-CL, Modality=Multimodal, Embedding Strategy=Subgraphs (SUB)2025.09 | 73.8 | 76.7 | 66.8 | 56.4 | 75.7 | 70.6 | 71.9 | 75.5 | 70.92 | |
| C-FREEMM-MOLEvaluation Protocol=Linear Probe, Backbone=Frozen, Category=Non-CL, Modality=Multimodal, Embedding Strategy=Whole-molecule (MOL)2025.09 | 69.8 | 79.9 | 65.8 | 58.5 | 69.9 | 76.6 | 72.8 | 75.3 | 71.07 | |
| GROVEREvaluation Protocol=Linear Probe, Backbone=Frozen, Category=CL2025.09 | 67 | 63.9 | 53.6 | 59.9 | 65 | 62.7 | 67.8 | 69 | 63.62 | |
| INFOGRAPHEvaluation Protocol=Linear Probe, Backbone=Frozen, Category=CL2025.09 | 65.9 | 65.8 | 54.6 | 57.2 | 61.4 | 63.9 | 71.4 | 67.4 | 63.44 | |
| GRAPHCLEvaluation Protocol=Linear Probe, Backbone=Frozen, Category=CL2025.09 | 64.7 | 69.1 | 56.2 | 59.5 | 60.8 | 60.6 | 72.5 | 77 | 65.04 | |
| C-FREE2D-SUBEvaluation Protocol=Linear Probe, Backbone=Frozen, Category=Non-CL, Modality=2D-only, Embedding Strategy=Subgraphs (SUB)2025.09 | 64.2 | 76.7 | 63.9 | 58 | 71.4 | 64.6 | 65.5 | 73.9 | 67.27 | |
| ATTRMASKEvaluation Protocol=Linear Probe, Backbone=Frozen, Category=Non-CL2025.09 | 62.7 | 65.7 | 56.1 | 58.3 | 61.9 | 60.9 | 65.5 | 64.8 | 61.99 | |
| C-FREE2D-MOLEvaluation Protocol=Linear Probe, Backbone=Frozen, Category=Non-CL, Modality=2D-only, Embedding Strategy=Whole-molecule (MOL)2025.09 | 60.5 | 76.1 | 62.7 | 59 | 62.7 | 67.6 | 68.7 | 75.8 | 66.63 | |
| CONTEXTPREDEvaluation Protocol=Linear Probe, Backbone=Frozen, Category=Non-CL2025.09 | 55.5 | 67.9 | 54 | 57.1 | 67.4 | 60.5 | 66.2 | 54.4 | 60.36 | |
| EDGEPREDEvaluation Protocol=Linear Probe, Backbone=Frozen, Category=Non-CL2025.09 | 54.2 | 66.2 | 54.4 | 56.1 | 65.4 | 59.5 | 73.6 | 71.4 | 62.59 | |
| RANDOM INIT.Evaluation Protocol=Linear Probe, Backbone=Frozen2025.09 | 50.7 | 64.9 | 53.2 | 53.2 | 63.1 | 62.1 | 66.1 | 63.4 | 59.6 |